3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone
TL;DR: 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone (CAS 478048-66-7) is a chemical compound with molecular formula C17H16ClNO2 and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
Also Known As: 5M-320S, 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone, 3-chloro-1-(3-phenyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propan-1-one, 3-chloro-1-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one, 3-chloro-1-(9-phenyl-7-oxa-10-azabicyclo[4.4.0]deca-1,3,5-trien-10-yl)propan-1-one
| Molecular Formula | C17H16ClNO2 |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 3.7822 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.08694 |
| Heavy Atoms | 21 |
| Complexity | 629.697 |
Chemical Identifiers
| CAS Number | 478048-66-7 |
|---|---|
| SMILES | C1C(N(C2=CC=CC=C2O1)C(=O)CCCl)C3=CC=CC=C3 |
Product Overview
3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone (CAS 478048-66-7), with molecular formula C17H16ClNO2 and molecular weight 301.09 g/mol. IUPAC: 3-chloro-1-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one.
Chemical Property Profile of 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone
Property Insights of 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone
The XLogP value of 3.7822 indicates that 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone?
The CAS number of 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone is 478048-66-7.
What is the molecular formula of 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone?
The molecular formula of 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone is C17H16ClNO2.
What is the molecular weight of 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone?
The molecular weight of 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone is 301.09 g/mol.
Where can I buy 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone?
You can request a quote for 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-1-(3-phenyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.